CID 107867

Otenzepad

Structural Information

Molecular Formula
C24H31N5O2
SMILES
CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
InChIKey
UBRKDAVQCKZSPO-UHFFFAOYSA-N
Compound name
11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

378
References

1488
Patents

421.24777 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.255046 205.0
[M+Na]+ 444.236988 208.2
[M-H]- 420.240494 207.8
[M+NH4]+ 439.281593 210.5
[M+K]+ 460.210928 206.4
[M+H-H2O]+ 404.245030 192.2
[M+HCOO]- 466.245971 214.0
[M+CH3COO]- 480.261621 210.1
[M+Na-2H]- 442.222436 205.5
[M]+ 421.24722142 199.5
[M]- 421.24831858 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe